N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide

C17H23N3O2 — CID 71902500

IUPACN'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-9-11-14(12-10-13)18-16(21)17(22)20-19-15-7-5-3-2-4-6-8-15/h9-12H,2-8H2,1H3,(H,18,21)(H,20,22)
InChIKeyDSJMZFMGBMVITG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds2

About N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide

N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide (PubChem CID 71902500) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
PubChem CID71902500
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C17H23N3O2/c1-13-9-11-14(12-10-13)18-16(21)17(22)20-19-15-7-5-3-2-4-6-8-15/h9-12H,2-8H2,1H3,(H,18,21)(H,20,22)
InChIKeyDSJMZFMGBMVITG-UHFFFAOYSA-N
XLogP3.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclohexylideneamino)-N-(2,4-dimethylphenyl)oxamide
CID 4677008
N'-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 9179917
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894
N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-(4-bromophenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7105949
N'-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-N-(4-methylphenyl)oxamide
CID 9156049
N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide
CID 19659906
N-(4-methoxyphenyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159990
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-tert-butyl-N'-(cyclohexylideneamino)oxamide
CID 2844417
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110

Frequently Asked Questions

What is the IUPAC name of N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide (CID 71902500) is N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1.
What is the InChIKey of N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide?
The InChIKey is DSJMZFMGBMVITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-9-11-14(12-10-13)18-16(21)17(22)20-19-15-7-5-3-2-4-6-8-15/h9-12H,2-8H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide?
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide has a molecular weight of 301.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 71902500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).